1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol

C15H32N2O — CID 113317564

IUPAC1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol
SMILESCCCC1CCN(CC(O)CNC(C)(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-5-6-13-7-9-17(10-8-13)12-14(18)11-16-15(2,3)4/h13-14,16,18H,5-12H2,1-4H3
InChIKeyRJJNRLXZKMAODS-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds6

About 1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol

1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol (PubChem CID 113317564) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol
PubChem CID113317564
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol
SMILESCCCC1CCN(CC(O)CNC(C)(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-5-6-13-7-9-17(10-8-13)12-14(18)11-16-15(2,3)4/h13-14,16,18H,5-12H2,1-4H3
InChIKeyRJJNRLXZKMAODS-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780
1-amino-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62200170
1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
CID 115475343
1-(tert-butylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 115475429
1,1,1-trifluoro-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 63902467
1-cyclopentyl-2-(4-propylpiperidin-1-yl)ethanol
CID 104752787
1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
CID 115475401
3-hydroxy-4-(4-propylazepan-1-yl)butanoic acid
CID 82771064
1-(2,2-difluoroethyl)-4-propylpiperidine
CID 89323946
1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol
CID 62077210
1-(4-tert-butylpiperidin-1-yl)pentan-2-ol
CID 62090229
N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine
CID 63494021

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol (CID 113317564) is 1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol is CCCC1CCN(CC(O)CNC(C)(C)C)CC1.
What is the InChIKey of 1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol?
The InChIKey is RJJNRLXZKMAODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-6-13-7-9-17(10-8-13)12-14(18)11-16-15(2,3)4/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol?
1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 113317564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).